Details of the Drug

General Information of Drug (ID: DMKEVDL)

• Drug Name: BDBM50173327
• Synonyms: CHEMBL3808499; SCHEMBL17525395; BDBM50173327
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 540.6
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C30H29FN6O3
  IUPAC Name: 4-[3-[2-[(2,6-dimethylphenyl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
  Canonical SMILES: CC1=C(C(=CC=C1)C)CNC(=O)CC2=C(C=CC(=C2)C3C(=C(NC(=O)N3)C)C(=O)NC4=CC5=C(C=C4)NN=C5)F
  InChI: InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
  InChIKey: IDOAXNXBZZZOFX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118888913
  TTD ID: D0U5IW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
G protein-coupled receptor kinase 5 (GRK5)	TTTCXO0	GRK5_HUMAN	Inhibitor	[1]

References

• [1] G protein-coupled receptor kinase 2 inhibitors and methods for use of the same. US10023564.